[(1S,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methanol
PubChem CID: 12146298
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(1S,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | MLCVYPBKBQCPDK-XQLPTFJDSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -1.699 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.181 |
| Compound Name | [(1S,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7042063999999995 |
| Inchi | InChI=1S/C15H26O/c1-11-6-5-7-13-14(11,3)9-8-12(2)15(13,4)10-16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,14+,15-/m0/s1 |
| Smiles | C[C@H]1CC[C@]2([C@@H]([C@@]1(C)CO)CCC=C2C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Blepharostoma Trichophyllum (Plant) Rel Props:Source_db:cmaup_ingredients